4-[3-[2-(cyclohexen-1-yl)ethyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-2-ethanimidoyl-3-oxidanylidene-butanenitrile

Systemtic Name: 4-[3-[2-(cyclohexen-1-yl)ethyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-2-ethanimidoyl-3-oxidanylidene-butanenitrile Openeye Name: 4-[3-[2-(cyclohexen-1-yl)ethyl]-4-oxo-quinazolin-2-yl]sulfanyl-2-ethanimidoyl-3-oxo-butanenitrile CAS Name: 4-[[3-[2-(1-cyclohexenyl)ethyl]-4-oxo-2-quinazolinyl]thio]-2-(1-iminoethyl)-3-oxobutanenitrile IUPAC Name: 4-[3-[2-(cyclohexen-1-yl)ethyl]-4-oxoquinazolin-2-yl]sulfanyl-2-ethanimidoyl-3-oxobutanenitrile Traditional Name: 2-acetimidoyl-4-[[3-[2-(cyclohexen-1-yl)ethyl]-4-keto-quinazolin-2-yl]thio]-3-keto-butyronitrile Formula: C22H24N4O2S MolecularWeight: 408.51656

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCC3=CCCCC3

Isomeric SMILES

CC(=N)C(C#N)C(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCC3=CCCCC3

InChI

InChI=1S/C22H24N4O2S/c1-15(24)18(13-23)20(27)14-29-22-25-19-10-6-5-9-17(19)21(28)26(22)12-11-16-7-3-2-4-8-16/h5-7,9-10,18,24H,2-4,8,11-12,14H2,1H3